SCHEMBL4447040

SCHEMBL4447040

CCc1c(C(=O)O)ccc(I)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
FBP1 P09467 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7941828 0.89 TP53 (0.43) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL10487749 0.83 ALDH1A1 (0.39) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL4876434 0.81 HTT (0.38) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL8977186 0.81 GRIN2D (0.40) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL10606796 0.81 TP53 (0.38) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL1538857 0.81 ALDH1A1 (0.51) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL10951675 0.80 DTYMK (0.39) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL3127548 0.79 TP53 (0.37) TP53HTTFBP1ALDH1A1TSHR
SCHEMBL17164149 0.79 TSHR (0.51) TP53HTTALDH1A1TSHRCYP3A4
SCHEMBL28910119 0.78 TSHR (0.46) TP53HTTFBP1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937407-B1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2015-04-22 EP disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-8470982-B2 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET (DE) 2013-06-25 US disclosed
US-20090326235-A1 Solutions of anhydrous lanthanide salts and its preparation LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2009-12-31 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
EP-1937407-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION Ludwig-Maximilians-Universität München (DE) 2008-07-02 EP disclosed
WO-2007026014-A1 SOLUTIONS OF ANHYDROUS LANTHANIDE SALTS AND ITS PREPARATION LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2007-03-08 WO disclosed
EP-1759765-A1 Solutions of anhydrous lanthanide salts and its preparation Ludwig-Maximilians-Universität München (DE) 2007-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R TP53 4095/4885HTT 4393/4885FBP1 3169/4885
US-20090326235-A1 Solutions of anhydrous lanthanide salts and its preparation SLC39A3, AQP3, IKZF3 TP53 1969/4885HTT 3355/4885FBP1 2917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.